(8-cyclopropyl-4-methoxyquinolin-2-yl)-imidazol-1-ylmethanone

C17H15N3O2 — CID 67170184

IUPAC(8-cyclopropyl-4-methoxyquinolin-2-yl)-imidazol-1-ylmethanone
SMILESCOc1cc(C(=O)n2ccnc2)nc2c(C3CC3)cccc12
InChIInChI=1S/C17H15N3O2/c1-22-15-9-14(17(21)20-8-7-18-10-20)19-16-12(11-5-6-11)3-2-4-13(15)16/h2-4,7-11H,5-6H2,1H3
InChIKeyXEKDNKZHEOEREI-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.01
Rot. Bonds3

About (8-cyclopropyl-4-methoxyquinolin-2-yl)-imidazol-1-ylmethanone

(8-cyclopropyl-4-methoxyquinolin-2-yl)-imidazol-1-ylmethanone (PubChem CID 67170184) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (8-cyclopropyl-4-methoxyquinolin-2-yl)-imidazol-1-ylmethanone.

Molecular Properties

Compound Name(8-cyclopropyl-4-methoxyquinolin-2-yl)-imidazol-1-ylmethanone
PubChem CID67170184
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(8-cyclopropyl-4-methoxyquinolin-2-yl)-imidazol-1-ylmethanone
SMILESCOc1cc(C(=O)n2ccnc2)nc2c(C3CC3)cccc12
InChIInChI=1S/C17H15N3O2/c1-22-15-9-14(17(21)20-8-7-18-10-20)19-16-12(11-5-6-11)3-2-4-13(15)16/h2-4,7-11H,5-6H2,1H3
InChIKeyXEKDNKZHEOEREI-UHFFFAOYSA-N
XLogP3.01
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-cyclopropyl-4-methoxyquinolin-2-yl)-imidazol-1-ylmethanone?
The IUPAC name of (8-cyclopropyl-4-methoxyquinolin-2-yl)-imidazol-1-ylmethanone (CID 67170184) is (8-cyclopropyl-4-methoxyquinolin-2-yl)-imidazol-1-ylmethanone.
What is the SMILES notation for (8-cyclopropyl-4-methoxyquinolin-2-yl)-imidazol-1-ylmethanone?
The canonical SMILES for (8-cyclopropyl-4-methoxyquinolin-2-yl)-imidazol-1-ylmethanone is COc1cc(C(=O)n2ccnc2)nc2c(C3CC3)cccc12.
What is the InChIKey of (8-cyclopropyl-4-methoxyquinolin-2-yl)-imidazol-1-ylmethanone?
The InChIKey is XEKDNKZHEOEREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-15-9-14(17(21)20-8-7-18-10-20)19-16-12(11-5-6-11)3-2-4-13(15)16/h2-4,7-11H,5-6H2,1H3.
What are the key properties of (8-cyclopropyl-4-methoxyquinolin-2-yl)-imidazol-1-ylmethanone?
(8-cyclopropyl-4-methoxyquinolin-2-yl)-imidazol-1-ylmethanone has a molecular weight of 293.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-cyclopropyl-4-methoxyquinolin-2-yl)-imidazol-1-ylmethanone is sourced from PubChem (CID 67170184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).